| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:34:54 UTC |
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| Update Date | 2025-03-21 17:56:47 UTC |
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| HMDB ID | HMDB0000666 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003635 |
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| Name | Heptanoic acid |
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| Frequency | 1600.4 |
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| Structure | |
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| Chemical Formula | C7H14O2 |
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| Molecular Mass | 130.0994 |
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| SMILES | CCCCCCC(=O)O |
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| InChI Key | MNWFXJYAOYHMED-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesstraight chain fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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